Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 12/20 | 0.48 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | NOS1 | P29475 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL9547681 | 0.83 | DHFR (0.45) | DHFRCA1CA2NOS1CA9 | |
| SCHEMBL9547730 | 0.81 | DHFR (0.44) | DHFRCA1CA2NOS1 | |
| SCHEMBL17562254 | 0.80 | DHFR (0.46) | DHFR | |
| SCHEMBL17554406 | 0.79 | DHFR (0.46) | DHFR | |
| SCHEMBL17554417 | 0.79 | DHFR (0.46) | DHFR | |
| SCHEMBL17554357 | 0.79 | DHFR (0.46) | DHFR | |
| SCHEMBL15054326 | 0.77 | DHFR (0.46) | DHFR | |
| SCHEMBL17554416 | 0.76 | DHFR (0.44) | DHFR | |
| Potassium Ion SCHEMBL17554403 | 0.76 | DHFR (0.44) | DHFR | |
| SCHEMBL24344752 | 0.72 | DHFR (0.65) | DHFRCA1CA2CA9 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1993022315-A1 | HETEROAROYL-10-DEAZAAMINOPTERINS FOR TREATMENT OF INFLAMMATION | SRI INTERNATIONAL (US) | 1993-11-11 | — | — | WO | disclosed |